SCHEMBL31601897

SCHEMBL31601897

COc1ccc(CN(CC(=O)O)c2cc(N3CCC4(C3)OCCO4)nn3c(C(F)(F)F)cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.38
▸ ALDH1A1 P00352 12/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31601800 0.92 RXFP1 (0.37) RXFP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL31601778 0.88 ALDH1A1 (0.40) RXFP1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31601670 0.86 ALDH1A1 (0.37) RXFP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL31601761 0.85 ALDH1A1 (0.36) RXFP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL31601740 0.84 NPSR1 (0.37) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL31601857 0.81 ALDH1A1 (0.35) RXFP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL31601941 0.81 ALDH1A1 (0.34) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL31601911 0.80 ALDH1A1 (0.34) RXFP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL31601750 0.80 PDE1B (0.39) ALDH1A1KDM4EMAPTHSD17B10TDP1
SCHEMBL31601920 0.79 DGAT1 (0.42) RXFP1ALDH1A1KDM4EMAPTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 — — WO disclosed
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